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- 13492-01-8PHENYLCYCLOPROMINE SULFATE
- 13492-07-4Cyclohexanol,2-(1,1-dimethylethyl)-, (1S,2R)-
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Cas Database |
| Name |
Cyclohexanol,2-(1,1-dimethylethyl)- |
EINECS | 236-806-6 |
| CAS No. | 13491-79-7 | Density | 0.92 g/cm3 |
| PSA | 20.23000 | LogP | 2.58360 |
| Solubility | N/A | Melting Point |
43-46 °C(lit.) |
| Formula | C10H20O | Boiling Point | 206.9 °C at 760 mmHg |
| Molecular Weight | 156.268 | Flash Point | 79.4 °C |
| Transport Information | N/A | Appearance | white crystalline flakes and powder |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cyclohexanol,2-tert-butyl- (6CI,7CI,8CI);2-(1,1-Dimethylethyl)cyclohexanol;2-tert-Butylcyclohexanol; |
Article Data | 19 |
Cyclohexanol,2-(1,1-dimethylethyl)- Synthetic route
- 13491-79-7
2-tert-butylcyclohexan-1-ol
| Conditions | Yield |
|---|---|
| With aluminum oxide; sodium tetrahydroborate In hexane at 40℃; for 3h; | 100% |
| With sodium tetrahydroborate; silica gel In hexane at 40℃; for 5h; | 96% |
| With hydrogenchloride; isopropyl alcohol; nickel for 33.05h; Heating; | 75% |
| With tetrabutylammonium borohydride In various solvent(s) at 25℃; Reduction; |
- 88-18-6
2-tert-Butylphenol
- 13491-79-7
2-tert-butylcyclohexan-1-ol
| Conditions | Yield |
|---|---|
| With hydrogen In water at 40℃; under 7500.75 Torr; for 6h; Autoclave; | 99.2% |
| With nickel(II) oxide; hydrogen; palladium In hexane at 100℃; under 22502.3 Torr; for 8h; | 92% |
| With 5%-palladium/activated carbon; hydrogen at 90 - 100℃; under 15001.5 Torr; |
- 13491-79-7
2-tert-butylcyclohexan-1-ol
| Conditions | Yield |
|---|---|
| With ammonium chloride In water; acetonitrile at 80℃; for 1h; | 85% |
A
- 13491-79-7
2-tert-butylcyclohexan-1-ol
| Conditions | Yield |
|---|---|
| With water; C2H3O2(1-)*C36H53CoN2O2(1+) In methanol at 20℃; for 11h; Product distribution / selectivity; | A 77% B n/a C n/a |
| With water; [(S,S)-N,N’-bis(3,5-di-tertbutylsalicylidene)-1,2-cyclohexanediaminato(2-)]cobalt(II) In methanol at 20℃; for 140h; Product distribution / selectivity; | A 75% B n/a C n/a |
| With water; C6H3N2O5(1-)*C36H53CoN2O2(1+) In methanol at 20℃; for 10h; Product distribution / selectivity; | A 73% B n/a C n/a |
| With water; C2H3O2(1-)*C36H53CoN2O2(1+) In methanol at -10℃; for 103h; Product distribution / selectivity; | A 68% B n/a C n/a |
| With water; C6H3N2O5(1-)*C36H53CoN2O2(1+) In methanol at -10℃; for 77h; Product distribution / selectivity; | A 62% B n/a C n/a |
- 75-65-0
tert-butyl alcohol
- 110-83-8
cyclohexene
A
- 931-17-9
1,2-Cyclohexanediol
B
- 13491-79-7
2-tert-butylcyclohexan-1-ol
| Conditions | Yield |
|---|---|
| With N,N,N,N,N,N-hexamethylphosphoric triamide; dihydrogen peroxide; methyltrioxorhenium(VII) In water Product distribution; Ambient temperature; without HMPA as well; |
- 13491-79-7
2-tert-butylcyclohexan-1-ol
- 1728-46-7
2-tert-butylcyclohexanone
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide; aluminum oxide In hexane at 39.9℃; for 15h; | 95% |
| With water; fluorine; acetonitrile In chloroform at -10 - 0℃; for 3.5h; | 90% |
| With cerium(III) sulfate; barium bromate In water; acetonitrile for 7h; Heating; | 90% |
- 13491-79-7
2-tert-butylcyclohexan-1-ol
- 116625-41-3
6-t-butyl-2,2,6-trichlorocyclohexanone
| Conditions | Yield |
|---|---|
| With chlorine In N,N-dimethyl-formamide at 55 - 70℃; for 2.33333h; | 93% |
- 13491-79-7
2-tert-butylcyclohexan-1-ol
- 3419-66-7
1-tert-butyl-1-cyclohexene
| Conditions | Yield |
|---|---|
| With triphenylphosphine dibromide 1:1 addition complex In N,N-dimethyl-formamide at 30℃; for 1h; | 90% |
| With phosphoric acid |
- 462-95-3
formaldehyde diethyl acetal
- 13491-79-7
2-tert-butylcyclohexan-1-ol
- 80390-89-2
1-tert-Butyl-2-ethoxymethoxy-cyclohexane
| Conditions | Yield |
|---|---|
| montmorillonite Heating; | 78% |
- 13491-79-7
2-tert-butylcyclohexan-1-ol
| Conditions | Yield |
|---|---|
| In toluene | 78% |
Cyclohexanol,2-(1,1-dimethylethyl)- Specification
The Cyclohexanol,2-(1,1-dimethylethyl)- is an organic compound with the formula C10H20O. The IUPAC name of this chemical is 2-tert-butylcyclohexan-1-ol. With the CAS registry number 13491-79-7, it is also named as 1-Methyl-4-isopropyl cyclohexan-3-ol. The product's categories are Pharmaceutical Raw Materials; C9 to C30; Oxygen Compounds; Alcohols. Besides, it is a white crystalline flakes and powder, which should be stored in a closed cool and dry place.
Physical properties about Cyclohexanol,2-(1,1-dimethylethyl)- are: (1)ACD/LogP: 3.06; (2)ACD/LogD (pH 5.5): 3.06; (3)ACD/LogD (pH 7.4): 3.06; (4)ACD/BCF (pH 5.5): 124.86; (5)ACD/BCF (pH 7.4): 124.86; (6)ACD/KOC (pH 5.5): 1102.1; (7)ACD/KOC (pH 7.4): 1102.1; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.471; (13)Molar Refractivity: 47.45 cm3; (14)Molar Volume: 169.6 cm3; (15)Polarizability: 18.81×10-24cm3; (16)Surface Tension: 34.1 dyne/cm; (17)Density: 0.92 g/cm3; (18)Flash Point: 79.4 °C; (19)Enthalpy of Vaporization: 51.55 kJ/mol; (20)Boiling Point: 206.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0543 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,2-epoxy-cyclohexane and cyclohexanol. This reaction will need reagent BF3 and solvent diethyl ether. The reaction time is 60 min with reaction temperature of -78 - -50 °C. The yield is about 78%.
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Uses of Cyclohexanol,2-(1,1-dimethylethyl)-: it can be used to produce (+-)-trans-1-acetoxy-2-tert-butyl-cyclohexane. The yield is about 82%.
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You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCCCC1C(C)(C)C
(2)InChI: InChI=1/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3
(3)InChIKey: DLTWBMHADAJAAZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3
(5)Std. InChIKey: DLTWBMHADAJAAZ-UHFFFAOYSA-N
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